(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide

C24H35N5O3 — CID 125227195

IUPAC(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(C(=O)N(C)C)C[C@H]2C(=O)N3CC)cc1
InChIInChI=1S/C24H35N5O3/c1-5-17-7-9-18(10-8-17)25-22(31)27-13-11-24(12-14-27)20-16-28(23(32)26(3)4)15-19(20)21(30)29(24)6-2/h7-10,19-20H,5-6,11-16H2,1-4H3,(H,25,31)/t19-,20+/m1/s1
InChIKeyFAMNPUGDHBYBCE-UXHICEINSA-N
MW441.58 g/mol
LogP2.71
Rot. Bonds3

About (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide

(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide (PubChem CID 125227195) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide.

Molecular Properties

Compound Name(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide
PubChem CID125227195
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(C(=O)N(C)C)C[C@H]2C(=O)N3CC)cc1
InChIInChI=1S/C24H35N5O3/c1-5-17-7-9-18(10-8-17)25-22(31)27-13-11-24(12-14-27)20-16-28(23(32)26(3)4)15-19(20)21(30)29(24)6-2/h7-10,19-20H,5-6,11-16H2,1-4H3,(H,25,31)/t19-,20+/m1/s1
InChIKeyFAMNPUGDHBYBCE-UXHICEINSA-N
XLogP2.71
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide with MolForge

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Related Compounds

(3aR,6aS)-N-(4-ethylphenyl)-5-(2-methoxyethyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
CID 125227524
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
14-ethyl-3-N,3-N-dimethyl-15-oxo-11-N-phenyl-3,11,14-triazadispiro[5.1.58.26]pentadecane-3,11-dicarboxamide
CID 97439281
(3aS,6aR)-2-acetyl-1'-(4-chlorobenzoyl)-5-ethylspiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 97439206
(3aS,6aR)-5-ethyl-N-(3-methoxyphenyl)-2-(2-methylpropyl)-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 155869598
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
(5R)-3-ethyl-9-N-(4-fluorophenyl)-13-N,13-N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9,13-dicarboxamide
CID 97440007
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
3-ethyl-13-N,13-N-dimethyl-4-oxo-9-N-phenyl-3,9,13-triazadispiro[4.0.56.35]tetradecane-9,13-dicarboxamide
CID 131654262
(3aR,6aS)-5-acetyl-N-(3-methoxyphenyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
CID 125234117

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide?
The IUPAC name of (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide (CID 125227195) is (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide.
What is the SMILES notation for (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide?
The canonical SMILES for (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide is CCc1ccc(NC(=O)N2CCC3(CC2)[C@H]2CN(C(=O)N(C)C)C[C@H]2C(=O)N3CC)cc1.
What is the InChIKey of (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide?
The InChIKey is FAMNPUGDHBYBCE-UXHICEINSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-5-17-7-9-18(10-8-17)25-22(31)27-13-11-24(12-14-27)20-16-28(23(32)26(3)4)15-19(20)21(30)29(24)6-2/h7-10,19-20H,5-6,11-16H2,1-4H3,(H,25,31)/t19-,20+/m1/s1.
What are the key properties of (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide?
(3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide has a molecular weight of 441.58 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-ethyl-1-N'-(4-ethylphenyl)-2-N,2-N-dimethyl-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1',2-dicarboxamide is sourced from PubChem (CID 125227195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).